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ChemSpider 2D Image | (7S,11S)-9-(2,2-Dimethylpropanoyl)-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.1~3,6~.0~7,11~]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione | C23H31N7O4

(7S,11S)-9-(2,2-Dimethylpropanoyl)-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione

  • Molecular FormulaC23H31N7O4
  • Average mass469.537 Da
  • Monoisotopic mass469.243744 Da
  • ChemSpider ID62730947
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7S,11S)-9-(2,2-Dimethylpropanoyl)-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraen-13,18,23-trion [German] [ACD/IUPAC Name]
(7S,11S)-9-(2,2-Dimethylpropanoyl)-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione [ACD/IUPAC Name]
(7S,11S)-9-(2,2-Diméthylpropanoyl)-17-méthyl-1,4,5,6,9,14,17-heptaazatétracyclo[17.3.1.13,6.07,11]tétracosa-3(24),4,19,21-tétraène-13,18,23-trione [French] [ACD/IUPAC Name]
5H-6,10-Methano-1,4-methenopyrrolo[3,4-r]-1,2,3,6,12,15-hexaazacyclononadecine-11,16,21-trione, 19-(2,2-dimethyl-1-oxopropyl)-12,13,14,15,17,17a,18,19,20,20a-decahydro-12-methyl-, (17aS,20aS)- [ACD/Index Name]
rel-(17aS,20aS)-19-(2,2-dimethylpropanoyl)-12-methyl-12,13,14,15,17,17a,18,19,20,20a-decahydro-6,10-methano-1,4-methenopyrrolo[3,4-r][1,2,3,6,12,15]hexaazacyclononadecine-11,16,21-trione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 126.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -2.45
ACD/LogD (pH 5.5): -1.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.61
Polar Surface Area: 121 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 336.7±7.0 cm3

Click to predict properties on the Chemicalize site






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